MAGNDATA - Collection of Magnetic Structures

Symmetry operations of the magnetic space group in the setting used:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 0 1/2 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 0 1/2 1/2 }
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5	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
6	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
7	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }
8	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 }

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Symmetry operations of the magnetic point group in the setting used:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	-x,-y,-z,+1	-1
4	x,-y,z,+1	m₀₁₀
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5	x,y,z,-1	1'
6	-x,y,-z,-1	2'₀₁₀
7	-x,-y,-z,-1	-1'
8	x,-y,z,-1	m'₀₁₀

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Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.12(2)	0.6525(5)	0.230(1)	1.	8	m_x,m_y,m_z	4.30(4)	0.0	0.0	4.30

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Li1	Li	0.13(2)	0.064(6)	0.26(2)	0.5	8
Na1	Na	0.13(2)	0.064(6)	0.26(2)	0.5	8
Ge1	Ge	0.020(2)	0.340(2)	0.249(3)	1.	8
Ge2	Ge	0.274(2)	0.844(2)	0.241(2)	1.	8
O1	O	0.427(2)	0.329(3)	0.158(3)	1.	8
O2	O	0.052(2)	0.519(2)	0.285(2)	1.	8
O3	O	0.055(1)	0.279(1)	0.573(2)	1.	8
O4	O	0.182(2)	0.836(3)	0.116(3)	1.	8
O5	O	0.311(2)	0.020(2)	0.340(2)	1.	8
O6	O	0.309(1)	0.710(1)	0.494(2)	1.	8

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:

Magnetic atoms:

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.12000	0.65250	0.23000	m_x,m_y,m_z	4.30000	0.00000	0.00000
2	0.88000	0.15250	0.27000	-m_x,m_y,-m_z	-4.30000	0.00000	0.00000
3	0.88000	0.34750	0.77000	m_x,m_y,m_z	4.30000	0.00000	0.00000
4	0.12000	0.84750	0.73000	-m_x,m_y,-m_z	-4.30000	0.00000	0.00000
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5	0.62000	0.65250	0.23000	-m_x,-m_y,-m_z	-4.30000	0.00000	0.00000
6	0.38000	0.15250	0.27000	m_x,-m_y,m_z	4.30000	0.00000	0.00000
7	0.38000	0.34750	0.77000	-m_x,-m_y,-m_z	-4.30000	0.00000	0.00000
8	0.62000	0.84750	0.73000	m_x,-m_y,m_z	4.30000	0.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Li1:

Atom	x	y	z
1	0.13000	0.06400	0.26000
2	0.87000	0.56400	0.24000
3	0.87000	0.93600	0.74000
4	0.13000	0.43600	0.76000
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5	0.63000	0.06400	0.26000
6	0.37000	0.56400	0.24000
7	0.37000	0.93600	0.74000
8	0.63000	0.43600	0.76000

Set of atoms in the unit cell related by symmetry with the atom Na1:

Atom	x	y	z
1	0.13000	0.06400	0.26000
2	0.87000	0.56400	0.24000
3	0.87000	0.93600	0.74000
4	0.13000	0.43600	0.76000
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5	0.63000	0.06400	0.26000
6	0.37000	0.56400	0.24000
7	0.37000	0.93600	0.74000
8	0.63000	0.43600	0.76000

Set of atoms in the unit cell related by symmetry with the atom Ge1:

Atom	x	y	z
1	0.02000	0.34000	0.24900
2	0.98000	0.84000	0.25100
3	0.98000	0.66000	0.75100
4	0.02000	0.16000	0.74900
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5	0.52000	0.34000	0.24900
6	0.48000	0.84000	0.25100
7	0.48000	0.66000	0.75100
8	0.52000	0.16000	0.74900

Set of atoms in the unit cell related by symmetry with the atom Ge2:

Atom	x	y	z
1	0.27400	0.84400	0.24100
2	0.72600	0.34400	0.25900
3	0.72600	0.15600	0.75900
4	0.27400	0.65600	0.74100
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5	0.77400	0.84400	0.24100
6	0.22600	0.34400	0.25900
7	0.22600	0.15600	0.75900
8	0.77400	0.65600	0.74100

Set of atoms in the unit cell related by symmetry with the atom O1:

Atom	x	y	z
1	0.42700	0.32900	0.15800
2	0.57300	0.82900	0.34200
3	0.57300	0.67100	0.84200
4	0.42700	0.17100	0.65800
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5	0.92700	0.32900	0.15800
6	0.07300	0.82900	0.34200
7	0.07300	0.67100	0.84200
8	0.92700	0.17100	0.65800

Set of atoms in the unit cell related by symmetry with the atom O2:

Atom	x	y	z
1	0.05200	0.51900	0.28500
2	0.94800	0.01900	0.21500
3	0.94800	0.48100	0.71500
4	0.05200	0.98100	0.78500
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5	0.55200	0.51900	0.28500
6	0.44800	0.01900	0.21500
7	0.44800	0.48100	0.71500
8	0.55200	0.98100	0.78500

Set of atoms in the unit cell related by symmetry with the atom O3:

Atom	x	y	z
1	0.05500	0.27900	0.57300
2	0.94500	0.77900	0.92700
3	0.94500	0.72100	0.42700
4	0.05500	0.22100	0.07300
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5	0.55500	0.27900	0.57300
6	0.44500	0.77900	0.92700
7	0.44500	0.72100	0.42700
8	0.55500	0.22100	0.07300

Set of atoms in the unit cell related by symmetry with the atom O4:

Atom	x	y	z
1	0.18200	0.83600	0.11600
2	0.81800	0.33600	0.38400
3	0.81800	0.16400	0.88400
4	0.18200	0.66400	0.61600
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5	0.68200	0.83600	0.11600
6	0.31800	0.33600	0.38400
7	0.31800	0.16400	0.88400
8	0.68200	0.66400	0.61600

Set of atoms in the unit cell related by symmetry with the atom O5:

Atom	x	y	z
1	0.31100	0.02000	0.34000
2	0.68900	0.52000	0.16000
3	0.68900	0.98000	0.66000
4	0.31100	0.48000	0.84000
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5	0.81100	0.02000	0.34000
6	0.18900	0.52000	0.16000
7	0.18900	0.98000	0.66000
8	0.81100	0.48000	0.84000

Set of atoms in the unit cell related by symmetry with the atom O6:

Atom	x	y	z
1	0.30900	0.71000	0.49400
2	0.69100	0.21000	0.00600
3	0.69100	0.29000	0.50600
4	0.30900	0.79000	0.99400
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5	0.80900	0.71000	0.49400
6	0.19100	0.21000	0.00600
7	0.19100	0.29000	0.50600
8	0.80900	0.79000	0.99400

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.12(2)	0.6525(5)	0.230(1)	8	m_x,m_y,m_z	4.30(4)	0.0	0.0	4.30

label	dim. small irrep	dim. full irrep	action	number of modes
mY1+	1	1	primary	3

MAGNDATA: A Collection of magnetic structures with portable cif-type files